iterations/neb0_image05_iter52.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.470364694141 0.223928089537 0.481378103572} O1 1 1
14 {} {0.331997218247 0.229356567985 0.57001886203} Si1 2 1
14 {} {0.590456599813 0.328939044015 0.441800081047} Si2 3 1
8 {} {0.526208457535 0.476233599773 0.410020593986} O2 4 1
8 {} {0.33367482911 0.365180114083 0.666402126942} O3 5 1
14 {} {0.28685550971 0.519490110742 0.688560908873} Si3 6 1
14 {} {0.503061166792 0.639981210217 0.430692354733} Si4 7 1
1 {} {0.330478021121 0.115912005991 0.665179412252} H1 8 1
1 {} {0.212489922786 0.232835308802 0.480367183331} H2 9 1
1 {} {0.654881740274 0.265712528432 0.324518273138} H3 10 1
1 {} {0.689561402176 0.338544502631 0.552421206102} H4 11 1
1 {} {0.136509048172 0.534197275411 0.690252303513} H5 12 1
1 {} {0.343884247443 0.568938391867 0.819258126722} H6 13 1
1 {} {0.393033605047 0.760392533886 0.421591555554} H7 14 1
1 {} {0.530705941711 0.682522569567 0.293312390762} H8 15 1
1 {} {0.596635311573 0.692471404894 0.532721862368} H10 16 1
8 {} {0.349454553608 0.604521056216 0.557841552946} O 17 1
1 {} {0.32983384416 0.693361639456 0.504721077159} H14 18 1
@end
@Columns Cell
	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
	PrimitiveData	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	RotationMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	SpaceGroup	string	P1
	SpaceGroupNumber	int	1
	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
@end
@data
{a b c A B G} {0 0 0} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 0 0
7 1 0 0
8 1 0 0
6 3 0 0
5 4 0 0
10 2 0 0
9 2 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
0 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end